(4S)-4-(3-aminophenyl)pyrrolidin-2-one

C10H12N2O — CID 86315682

IUPAC(4S)-4-(3-aminophenyl)pyrrolidin-2-one
SMILESNc1cccc([C@H]2CNC(=O)C2)c1
InChIInChI=1S/C10H12N2O/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6,11H2,(H,12,13)/t8-/m1/s1
InChIKeyZZPPSRMRIPWGTL-MRVPVSSYSA-N
MW176.22 g/mol
LogP0.87
Rot. Bonds1

About (4S)-4-(3-aminophenyl)pyrrolidin-2-one

(4S)-4-(3-aminophenyl)pyrrolidin-2-one (PubChem CID 86315682) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (4S)-4-(3-aminophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-aminophenyl)pyrrolidin-2-one
PubChem CID86315682
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(4S)-4-(3-aminophenyl)pyrrolidin-2-one
SMILESNc1cccc([C@H]2CNC(=O)C2)c1
InChIInChI=1S/C10H12N2O/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6,11H2,(H,12,13)/t8-/m1/s1
InChIKeyZZPPSRMRIPWGTL-MRVPVSSYSA-N
XLogP0.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-(5-oxopyrrolidin-3-yl)phenyl]azanium
CID 140682404
4-(3-hydroxyphenyl)pyrrolidin-2-one
CID 23345041
4-phenylpyrrolidin-2-one;hydrate
CID 171699854
4-(3-amino-5-methylphenyl)pyrrolidin-2-one
CID 167592266
4-(3-isocyanatophenyl)pyrrolidin-2-one
CID 169353625
5-(3-aminophenyl)piperazin-2-one
CID 172593542
4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
CID 53417800
4-(4-amino-3-methylphenyl)pyrrolidin-2-one
CID 53417806
4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66106950
(4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one
CID 124634560
4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 53417785
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-aminophenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-aminophenyl)pyrrolidin-2-one (CID 86315682) is (4S)-4-(3-aminophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-aminophenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-aminophenyl)pyrrolidin-2-one is Nc1cccc([C@H]2CNC(=O)C2)c1.
What is the InChIKey of (4S)-4-(3-aminophenyl)pyrrolidin-2-one?
The InChIKey is ZZPPSRMRIPWGTL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6,11H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (4S)-4-(3-aminophenyl)pyrrolidin-2-one?
(4S)-4-(3-aminophenyl)pyrrolidin-2-one has a molecular weight of 176.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-aminophenyl)pyrrolidin-2-one is sourced from PubChem (CID 86315682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).